6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one

C10H12F2N6O — CID 139296120

IUPAC6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESNc1nn2c(C3CCCC(F)(F)C3)nnc2c(=O)[nH]1
InChIInChI=1S/C10H12F2N6O/c11-10(12)3-1-2-5(4-10)6-15-16-7-8(19)14-9(13)17-18(6)7/h5H,1-4H2,(H3,13,14,17,19)
InChIKeyNJYWTDJPYCBRGI-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.69
Rot. Bonds1

About 6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one

6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (PubChem CID 139296120) has the molecular formula C10H12F2N6O and a molecular weight of 270.24 g/mol. Its IUPAC name is 6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.

Molecular Properties

Compound Name6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
PubChem CID139296120
Molecular FormulaC10H12F2N6O
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESNc1nn2c(C3CCCC(F)(F)C3)nnc2c(=O)[nH]1
InChIInChI=1S/C10H12F2N6O/c11-10(12)3-1-2-5(4-10)6-15-16-7-8(19)14-9(13)17-18(6)7/h5H,1-4H2,(H3,13,14,17,19)
InChIKeyNJYWTDJPYCBRGI-UHFFFAOYSA-N
XLogP0.69
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one with MolForge

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Related Compounds

6-amino-3-[3-(trifluoromethyl)cyclohexyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 139295573
6-amino-3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 139295681
6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 139295820
2-(Cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide
CID 175395400
5-[(4,4-Difluorocyclohexyl)methyl]-2-(3,3-difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175397026
2-(3,3-Difluorobutyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide
CID 175397158
5-[(4,4-Difluorocyclohexyl)methyl]-2-ethyl-1,2,4-triazole-3-carboxamide
CID 175397162
5-[(4,4-Difluorocyclohexyl)methyl]-2-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175397192
5-[(4,4-Difluorocyclohexyl)methyl]-2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175397358
5-[(4,4-Difluorocyclohexyl)methyl]-2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175397373
5-[(4,4-Difluorocyclohexyl)methyl]-2-(3-fluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175397414
6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 138684470

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The IUPAC name of 6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (CID 139296120) is 6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.
What is the SMILES notation for 6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The canonical SMILES for 6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is Nc1nn2c(C3CCCC(F)(F)C3)nnc2c(=O)[nH]1.
What is the InChIKey of 6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The InChIKey is NJYWTDJPYCBRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N6O/c11-10(12)3-1-2-5(4-10)6-15-16-7-8(19)14-9(13)17-18(6)7/h5H,1-4H2,(H3,13,14,17,19).
What are the key properties of 6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one has a molecular weight of 270.24 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is sourced from PubChem (CID 139296120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).